SCHEMBL1900199

SCHEMBL1900199

Cc1csc2ncnc(N3CCCC(c4ccc(C(F)(F)F)cc4)C3)c12

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.55
MAPT P10636 2/20 0.55
POLB P06746 2/20 0.49
HTT P42858 1/20 0.45
KMT2A Q03164 1/20 0.45
PRKDC P78527 2/20 0.43
PRCP P42785 1/20 0.42
BTK Q06187 1/20 0.41
ADRB2 P07550 2/20 0.40
ADRB1 P08588 2/20 0.40
ADRB3 P13945 2/20 0.40
PROKR1 Q8TCW9 2/20 0.39
PDE3A Q14432 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3340471 0.79 MAPT (0.68) MAPK1MAPTPOLBHTTKMT2A
SCHEMBL1902432 0.74 MAPT (0.62) MAPK1MAPTPOLBHTTKMT2A
SCHEMBL3340197 0.72 LRRK2 (0.53) MAPK1MAPTPOLBHTTKMT2A
SCHEMBL5241719 0.71 PDE3A (0.76) PRKDCPDE3A
SCHEMBL3338765 0.71 POLB (0.71) MAPK1MAPTPOLBHTTKMT2A
SCHEMBL21620126 0.70 KMT2A (0.47) KMT2APRCPPROKR1
SCHEMBL21619965 0.70 NOTUM (0.46) HTTPRKDCPRCPPROKR1
SCHEMBL14964955 0.69 POLB (0.49) POLBHTTKMT2AADRB2ADRB1
SCHEMBL4433890 0.68 ADRB2 (0.51) MAPK1MAPTPOLBHTTKMT2A
SCHEMBL27978608 0.67 POLB (0.47) POLBHTTKMT2AADRB2ADRB1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2320904-A2 AMINOPYRIMIDINE INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE Kalypsys, Inc. (US) 2011-05-18 EP disclosed
WO-2010030757-A2 AMINOPYRIMIDINE INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS INC. (US) 2010-03-18 WO disclosed
US-20100063047-A1 AMINOPYRIMIDINE INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-03-11 US disclosed
US-20100063047-A1 AMINOPYRIMIDINE INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-03-11 US disclosed
US-20100063047-A1 AMINOPYRIMIDINE INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-03-11 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100063047-A1 AMINOPYRIMIDINE INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH2, HRH3 MAPK1 3238/4885MAPT 2488/4885POLB 2075/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.